N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide

C21H21N3O — CID 109197652

IUPACN-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(N(C)c3ccccc3)cn2)c1
InChIInChI=1S/C21H21N3O/c1-15-11-16(2)13-17(12-15)23-21(25)20-10-9-19(14-22-20)24(3)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,23,25)
InChIKeyJYQRIQHLUIWNSP-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.72
Rot. Bonds4

About N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide

N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide (PubChem CID 109197652) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide
PubChem CID109197652
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(N(C)c3ccccc3)cn2)c1
InChIInChI=1S/C21H21N3O/c1-15-11-16(2)13-17(12-15)23-21(25)20-10-9-19(14-22-20)24(3)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,23,25)
InChIKeyJYQRIQHLUIWNSP-UHFFFAOYSA-N
XLogP4.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109197694
N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide
CID 109242288
N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-2-carboxamide
CID 109197716
5-[butyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109196048
N-(2,4-difluorophenyl)-5-(N-methylanilino)pyridine-2-carboxamide
CID 109197711
5-(3,5-dimethylanilino)-N-phenylpyridine-2-carboxamide
CID 109196969
5-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109197685
1-[5-(N,3,5-trimethylanilino)-2-pyridinyl]ethanone
CID 83119952
N-(3,5-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192971
5-(N-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289424
5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109185542
N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290333

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide (CID 109197652) is N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc(N(C)c3ccccc3)cn2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide?
The InChIKey is JYQRIQHLUIWNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-11-16(2)13-17(12-15)23-21(25)20-10-9-19(14-22-20)24(3)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,23,25).
What are the key properties of N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide?
N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109197652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).